CID 12558

Pyrrolizidine

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC2CCCN2C1

InChI

InChI=1S/C7H13N/c1-3-7-4-2-6-8(7)5-1/h7H,1-6H2

InChIKey

ADRDEXBBJTUCND-UHFFFAOYSA-N

Compound name

2,3,5,6,7,8-hexahydro-1H-pyrrolizine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 644
References: 8396
Patents: 111.1048 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	112.11208	124.7
[M+Na]+	134.09402	131.1
[M-H]-	110.09752	127.2
[M+NH4]+	129.13862	150.4
[M+K]+	150.06796	130.3
[M+H-H2O]+	94.102060	119.0
[M+HCOO]-	156.10300	145.6
[M+CH3COO]-	170.11865	138.4
[M+Na-2H]-	132.07947	128.8
[M]+	111.10425	120.3
[M]-	111.10535	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe